Target functionality, definition

The role of the potential energy is taken by the Dyana target function [8, 28] that is defined such that it is zero if and only if all experimental distance constraints and torsion angle constraints are fulfilled and all nonbonded atom pairs satisfy a check for the absence of steric overlap. A conformation that satisfies the constraints more closely than another one will lead to a lower target function value. The exact definition of the Dyana target function is ... 

Although different techniques are used, all of these methods, except for Hartmann et al., search for the most plausible model. Thus, the definition of a reasonable target function seems to be the key issue. 

Foodomics, Functional Foods, and Nutraceuticals There is a clear trend in medicine and biosciences toward prevention of future diseases through adequate food intakes and the development of new functional foods and nutraceuticals. Although there is no officially accepted definition of functional foods, the definition proposed by Diplock et al. (73) is commonly used in the European Union and considers that a food is functional when it beneficially affects one or more target functions in the body beyond adequate nutrition in a way that is relevant to an improved state of health and well-being and/or reduction of risk of disease. Functional foods may include both natural (unmodified) foods and foods in which a component has been added, removed, or modified (including the bioavailability) by... 

Probably the least mechanical and easily defined operation is the initial choice of bondsets as a starting point for the protocol. Criteria for bond selection on grounds of both target functionality and target skeleton are applied but the procedure is still somewhat arbitrary and in need of sharper definition. In view of the enormous size of the synthesis tree this is probably inevitable, but it may be noted that it is no more arbitrary than the traditional description of stepwise retrosynthetic development from target functionality. In that procedure a bondset is also ultimately defined in steps, of course, by the constructions selected from the functionality each time. Such a procedure in fact misses many... 

As indicated by the definition above, requirements can be related to capabilities needed by certain stakeholders, or capabilities that have to be provided by a system. Therefore, requirements in the system development process can be assigned to two distinguished areas the problem domain and the solution domain, as shown in Fig. 5.4. The problem domain includes the needs and business goals for system development and their formulation into stakeholder requirements, without preselecting any specific solution characteristics. The solution domain contains the system requirements describing the targeted functionalities of the solution and subsequentiy the architectural design, which specifies how the solution will meet the system requirements [11]. 

A widely accepted definition of a functional food can be found in the consensus document produced by the Concerted Action on Functional Food Science in Europe, which was coordinated by the International Life Sciences Institute (Diplock et al, 1999). This states that foods can be regarded as functional if they can be satisfactorily demonstrated to have a beneficial effect on one or more target functions in the body, beyond adequate nutritional effects, that leads to an improved state of health and well-being and/or to a reduction in disease risk. Functional foods must remain foods and they must achieve their effects in amounts that would be consumed normally in the diet. They are not pills or supplements. 

---